SCHEMBL4753680

SCHEMBL4753680

O=C1CCCC(Br)=C1O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4755684 0.83
SCHEMBL592856 0.72
SCHEMBL10946917 0.68
SCHEMBL14462542 0.68
SCHEMBL441607 0.68
SCHEMBL1176799 0.68
SCHEMBL10995790 0.68
SCHEMBL5610168 0.67 MAPT (0.35)
SCHEMBL2862352 0.66 KDM4E (0.40)
SCHEMBL289021 0.65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885287-B1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-20 EP disclosed
EP-2885287-B1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-20 EP disclosed
US-9403845-B2 Pesticidally active pyridyl- and pyrimidyl- substituted pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-08-02 US disclosed
US-9403845-B2 Pesticidally active pyridyl- and pyrimidyl- substituted pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-08-02 US disclosed
US-9403845-B2 Pesticidally active pyridyl- and pyrimidyl- substituted pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-08-02 US disclosed
US-20150336985-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2015-11-26 US disclosed
US-20150232482-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 US disclosed
US-20150232482-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 US disclosed
US-20150232482-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 US disclosed
EP-2885287-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2015-06-24 EP disclosed
WO-2014029684-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008148034-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-04 WO disclosed